UCSF

ZINC25365708

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.01 5.5 -42.06 0 3 -1 48 316.736 3
Mid Mid (pH 6-8) 4.01 5.44 -9.71 1 3 0 46 317.744 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )